Cas no 188416-29-7 ((±)-Voriconazole)

(±)-Voriconazole structure
(±)-Voriconazole structure
Product Name:(±)-Voriconazole
CAS No:188416-29-7
MF:C16H14F3N5O
MW:349.31047296524
MDL:MFCD09263753
CID:847206
PubChem ID:15230631
Update Time:2025-04-19

(±)-Voriconazole Chemical and Physical Properties

Names and Identifiers

    • (2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • (2S,3R)-rel-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • Voriconazole Intermediate IV
    • 2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)- 2-butanol
    • Voriconazole PI-6
    • (2R,3R)-Voriconazole
    • 2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyriMidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (RaceMic Voriconazole)
    • (2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • (2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butane-2-ol
    • SCHEMBL371715
    • 188416-29-7
    • ent-Voriconazole
    • UNII-1Y58LNV43M
    • (2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyriMidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (RaceMic Voriconazole)
    • DTXSID60160114
    • 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaS,betaR)-; 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, [S-(R*,S*)]-; Voriconazole Imp. D (EP); Voriconazole Related Compound B (USP)
    • VORICONAZOLE IMPURITY D [EP IMPURITY]
    • 1Y58LNV43M
    • (2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol- 1-yl)butan-2-ol
    • Voriconazole enantiomer
    • EPI-VORICONAZOLE
    • (2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
    • AKOS016844178
    • BCP11125
    • D84333
    • Q27253140
    • Voriconazole specified impurity D [EP]
    • DS-11148
    • 137234-63-0
    • C16H14F3N5O
    • EN300-7376311
    • AC-8178
    • 4-PYRIMIDINEETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-5-FLUORO-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, (.ALPHA.S,.BETA.R)-
    • BCEHBSKCWLPMDN-HWPZZCPQSA-N
    • 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaS,betaR)-
    • (±)-Voriconazole
    • MDL： MFCD09263753
    • Inchi： 1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m1/s1
    • InChI Key： BCEHBSKCWLPMDN-HWPZZCPQSA-N
    • SMILES： FC1C=C(C=CC=1[C@](CN1C=NC=N1)([C@@H](C1C(=CN=CN=1)F)C)O)F

Computed Properties

  • Exact Mass: 349.11500
  • Monoisotopic Mass: 349.11504457g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 448
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 76.7?2

Experimental Properties

  • Density: 1.42±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.042 g/l) (25 o C),
  • PSA: 76.72000
  • LogP: 2.17690

(±)-Voriconazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Matrix Scientific
100266-250mg
(2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, 95+%
 188416-29-7 95+%
250mg
 $742.00 2023-09-06
Matrix Scientific
100266-1g
(2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, 95+%
 188416-29-7 95+%
1g
 $1647.00 2023-09-06
abcr
AB452177-250 mg
Voriconazole; .
 188416-29-7
250MG
 €295.20 2021-09-16
abcr
AB452177-1 g
Voriconazole, 95%; .
 188416-29-7 95%
1g
 €86.40 2023-07-18
Chemenu
CM512743-5g
(2S,3R)-rel-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
 188416-29-7 98%
5g
 $58 2023-02-02
Chemenu
CM512743-25g
(2S,3R)-rel-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
 188416-29-7 98%
25g
 $180 2023-02-02
abcr
AB452177-5 g
Voriconazole, 95%; .
 188416-29-7 95%
5g
 €143.00 2023-07-18
abcr
AB452177-25 g
Voriconazole, 95%; .
 188416-29-7 95%
25g
 €338.20 2023-07-18
TRC
V759995-100mg
(±)-Voriconazole
 188416-29-7
100mg
 $115.00 2023-05-17
TRC
V759995-250mg
(±)-Voriconazole
 188416-29-7
250mg
 $236.00 2023-05-17

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